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TopER: Topological Embeddings in Graph Representation Learning

About

Graph embeddings play a critical role in graph representation learning, allowing machine learning models to explore and interpret graph-structured data. However, existing methods often rely on opaque, high-dimensional embeddings, limiting interpretability and practical visualization. In this work, we introduce Topological Evolution Rate (TopER), a novel, low-dimensional embedding approach grounded in topological data analysis. TopER simplifies a key topological approach, Persistent Homology, by calculating the evolution rate of graph substructures, resulting in intuitive and interpretable visualizations of graph data. This approach not only enhances the exploration of graph datasets but also delivers competitive performance in graph clustering and classification tasks. Our TopER-based models achieve or surpass state-of-the-art results across molecular, biological, and social network datasets in tasks such as classification, clustering, and visualization.

Astrit Tola, Funmilola Mary Taiwo, Cuneyt Gurcan Akcora, Baris Coskunuzer• 2024

Related benchmarks

TaskDatasetResultRank
Graph Distribution Classification and ClusteringER, RP, SBM, RG graph distributions
Accuracy75.8
31
Graph classification (trajectory- vs cluster-like)Single-cell graphs All Graphs (full set)
Accuracy62.4
28
Graph classification (trajectory- vs cluster-like)Single-cell graphs Gold subset
Accuracy67.2
27
Graph Parameter ClassificationRandom Partition (RP)
Accuracy87
8
Graph Distribution ClassificationRandom Graph Models ER, RP, RG, SBM
Accuracy70
8
Graph Parameter ClassificationErdős-Rényi (ER) random graph model
Accuracy89
8
Graph Parameter ClassificationRandom Geometric (RG) Graph
Accuracy80
8
Graph Parameter ClassificationStochastic block model (SBM)
Accuracy60
8
Binary Graph ClassificationAll 169 Graphs (5-fold stratified CV)
Accuracy (Test)62.4
6
Binary Graph ClassificationGold 87 Graphs (5-fold stratified CV)
Test Accuracy67.2
5
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